2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide

C18H21N3O4 — CID 94800294

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C18H21N3O4/c1-11-15(12(2)25-20-11)10-24-16-7-5-4-6-14(16)18(23)19-13-8-17(22)21(3)9-13/h4-7,13H,8-10H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyIKTMLQSDASRNSZ-ZDUSSCGKSA-N
MW343.38 g/mol
LogP1.83
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 94800294) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
PubChem CID94800294
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C18H21N3O4/c1-11-15(12(2)25-20-11)10-24-16-7-5-4-6-14(16)18(23)19-13-8-17(22)21(3)9-13/h4-7,13H,8-10H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyIKTMLQSDASRNSZ-ZDUSSCGKSA-N
XLogP1.83
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide (CID 94800294) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CC(=O)N(C)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is IKTMLQSDASRNSZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-15(12(2)25-20-11)10-24-16-7-5-4-6-14(16)18(23)19-13-8-17(22)21(3)9-13/h4-7,13H,8-10H2,1-3H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 94800294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).